SCHEMBL4450303

SCHEMBL4450303

C=CCOC(=O)C(F)(F)C(O)C1CCOO1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8927650 0.88
SCHEMBL3254590 0.77
SCHEMBL5335596 0.76
SCHEMBL8927922 0.74
SCHEMBL8927910 0.74
SCHEMBL4665617 0.73 MMP9 (0.33)
SCHEMBL4795425 0.72
SCHEMBL8927652 0.70
SCHEMBL10468830 0.68 TDP1 (0.41)
SCHEMBL7584943 0.66 CYP3A4 (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4526988-A Hydrolyzing alkyl 3-dioxolanyl-2,2-difluoro-3-hydroxy propionate ELI LILLY AND COMPANY (US) 1985-07-02 US claimed
JP-6009602-A None JP disclosed
US-20090221811-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2009-09-03 US disclosed
WO-2008129530-A1 GEMCITABINE PRODUCTION PROCESS CHEMAGIS LTD. (IL) 2008-10-30 WO disclosed
US-20080262215-A1 GEMCITABINE PRODUCTION PROCESS CHEMAGIS LTD. (IL) 2008-10-23 US disclosed
EP-1931693-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2008-06-18 EP disclosed
US-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-10-25 US disclosed
WO-2007092705-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-08-16 WO disclosed
US-20070191598-A1 Process for Preparing Gemcitabine and Associated Intermediates CHEMAGIS LTD. (IL) 2007-08-16 US disclosed
WO-2007027564-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-03-08 WO disclosed
US-5061793-A Antitumor agents ELI LILLY AND COMPANY (US) 1991-10-29 US disclosed
US-5015743-A 2-Deoxy-2,2-difluororibose ELI LILLY AND COMPANY (US) 1991-05-14 US disclosed
EP-0329348-A2 2',3'-Dideoxy-2',2'-difluoronucleosides ELI LILLY AND COMPANY (US) 1989-08-23 EP disclosed
US-4808614-A Difluoro antivirals and intermediate therefor ELI LILLY AND COMPANY (US) 1989-02-28 US disclosed
EP-0122707-B1 IMPROVEMENTS IN OR RELATING TO NOVEL DIFLUORO ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1987-09-16 EP disclosed
US-4692434-A NUCLEOSIDES ELI LILLY AND COMPANY (US) 1987-09-08 US disclosed
EP-0211354-A2 Nucleosides and their use as antineoplastic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1987-02-25 EP disclosed
EP-0184365-A2 Improvements in the treatment of tumors in mammals ELI LILLY AND COMPANY (US) 1986-06-11 EP disclosed
US-4526988-A Hydrolyzing alkyl 3-dioxolanyl-2,2-difluoro-3-hydroxy propionate ELI LILLY AND COMPANY (US) 1985-07-02 US disclosed
EP-0122707-A1 Improvements in or relating to novel difluoro antiviral agents ELI LILLY AND COMPANY (US) 1984-10-24 EP disclosed